(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone

CAS 81149-12-4C32H37N5O6MW 587.7

(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone (CAS 81149-12-4) — formula C32H37N5O6, molecular weight 587.7; category organic chemicals.

Product Overview

CAS Number	81149-12-4
Molecular Formula	C32H37N5O6
Molecular Weight	587.7
LogP	1.6
Category	Organic Chemicals

Technical Profile

What this product is

(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone is a carbon-based organic compound with CAS registry number 81149-12-4 and molecular formula C32H37N5O6 (molecular weight 587.7), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 81149-12-4

Its molecular formula C32H37N5O6 comprises 32 C, 37 H, 5 N, 6 O atoms.

Also known as: (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone · (5'Alpha,10Alpha)-1-去甲基-9,10-二氢-12'-羟基-2'-甲基-5'-(苯甲基)-2,3(2H,3H)-二氢麦角胺-3,3',6',18-四酮

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone?

The CAS registry number of (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone is 81149-12-4.

What is the molecular formula and molecular weight of (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone?

Molecular formula C32H37N5O6, molecular weight 587.7.

What other names is (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone known by?

It is also registered under: (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone, (5'Alpha,10Alpha)-1-去甲基-9,10-二氢-12'-羟基-2'-甲基-5'-(苯甲基)-2,3(2H,3H)-二氢麦角胺-3,3',6',18-四酮.

Which category does (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone (CAS 81149-12-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号	81149-12-4
PubChem CID	131667450
分子式	C32H37N5O6
IUPAC 名称	(2R,4aR,10bR)-7-amino-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-4-methyl-6-oxo-1,2,3,4a,5,10b-hexahydrobenzo[f]quinoline-2-carboxamide

Computed descriptors

Molecular Weight	587.7
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	587.27438392
Monoisotopic Mass	587.27438392
Topological Polar Surface Area	146
Heavy Atom Count	43

What the public record says

(5'Alpha,10Alpha)-1-去甲基-9,10-二氢-12'-羟基-2'-甲基-5'-(苯甲基)-2,3(2H,3H)-二氢麦角胺-3,3',6',18-四酮 · CAS 81149-12-4 · C32H37N5O6.

Source: PubChem / Wikidata; the batch COA governs where values differ.

(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone

Product Overview

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

What the public record says

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