Octanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7 b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa( 3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha, 7balpha,8alpha,9beta,9aalpha))- (CAS 72416-83-2) — formula C30H44O8, molecular weight 532.7; category organic chemicals.
| CAS Number | 72416-83-2 |
|---|---|
| Molecular Formula | C30H44O8 |
| Molecular Weight | 532.7 |
| LogP | 3.3 |
| Category | Organic Chemicals |
Octanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7 b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa( 3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha, 7balpha,8alpha,9beta,9aalpha))- is a carbon-based organic compound with CAS registry number 72416-83-2 and molecular formula C30H44O8 (molecular weight 532.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72416-83-2
Its molecular formula C30H44O8 comprises 30 C, 44 H, 8 O atoms.
Also known as: Octanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7 b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa( 3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha, 7balpha,8alpha,9beta,9aalpha))- · 辛酸，9a-(乙酰氧基)-1a,1b,4,4a,5,7a,7b,8,9,9a-十氢-4a,7b-二羟基-3-(羟甲基)-1,1,6,8-四甲基-5-氧代-1H-环丙(3,4)苯(1,2-e)azulen-9-基酯， (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
Category: organic chemicals
The CAS registry number of Octanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7 b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa( 3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha, 7balpha,8alpha,9beta,9aalpha))- is 72416-83-2.
Molecular formula C30H44O8, molecular weight 532.7.
It is also registered under: Octanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7 b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa( 3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha, 7balpha,8alpha,9beta,9aalpha))-, 辛酸，9a-(乙酰氧基)-1a,1b,4,4a,5,7a,7b,8,9,9a-十氢-4a,7b-二羟基-3-(羟甲基)-1,1,6,8-四甲基-5-氧代-1H-环丙(3,4)苯(1,2-e)azulen-9-基酯， (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-.
Category: Organic Chemicals.
Independent reference data for Octanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7 b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa( 3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha, 7balpha,8alpha,9beta,9aalpha))- (CAS 72416-83-2), compiled from public chemistry databases.
| CAS 号 | 72416-83-2 |
|---|---|
| PubChem CID | 155884 |
| 分子式 | C30H44O8 |
| IUPAC 名称 | [(1S,2S,6R,10S,11R,14S,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] octanoate |
| Molecular Weight | 532.7 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 532.30361836 |
| Monoisotopic Mass | 532.30361836 |
| Topological Polar Surface Area | 130 |
| Heavy Atom Count | 38 |
辛酸，9a-(乙酰氧基)-1a,1b,4,4a,5,7a,7b,8,9,9a-十氢-4a,7b-二羟基-3-(羟甲基)-1,1,6,8-四甲基-5-氧代-1H-环丙(3,4)苯(1,2-e)azulen-9-基酯， (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))- · CAS 72416-83-2 · C30H44O8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.