(3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-7,7'-bi(4aH-xanthene)-4a,4'a-dicarboxylic acid dimethyl ester (CAS 35287-71-9) — formula C32H30O14, molecular weight 638.6; category organic chemicals.
| CAS Number | 35287-71-9 |
|---|---|
| Molecular Formula | C32H30O14 |
| Molecular Weight | 638.6 |
| LogP | 3.1 |
| Applications | Used in cosmetics, plastics, and lubricants. |
| Category | Organic Chemicals |
Documented applications: Used in cosmetics, plastics, and lubricants..
(3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-7,7'-bi(4aH-xanthene)-4a,4'a-dicarboxylic acid dimethyl ester is a carbon-based organic compound with CAS registry number 35287-71-9 and molecular formula C32H30O14 (molecular weight 638.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 35287-71-9
Its molecular formula C32H30O14 comprises 32 C, 30 H, 14 O atoms.
Also known as: (3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-7,7'-bi(4aH-xanthene)-4a,4'a-dicarboxylic acid dimethyl ester · (3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-八氢-1,1',4,4',8,8'-六羟基-3,3'-二甲基-9,9'-二氧代-7,7'-双(4aH-呫吨)-4a,4'a-二甲酸二甲酯
Category: organic chemicals
The CAS registry number of (3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-7,7'-bi(4aH-xanthene)-4a,4'a-dicarboxylic acid dimethyl ester is 35287-71-9.
Molecular formula C32H30O14, molecular weight 638.6.
It is also registered under: (3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-7,7'-bi(4aH-xanthene)-4a,4'a-dicarboxylic acid dimethyl ester, (3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-八氢-1,1',4,4',8,8'-六羟基-3,3'-二甲基-9,9'-二氧代-7,7'-双(4aH-呫吨)-4a,4'a-二甲酸二甲酯.
Recorded applications: Used in cosmetics, plastics, and lubricants..
Category: Organic Chemicals.
Independent reference data for (3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-7,7'-bi(4aH-xanthene)-4a,4'a-dicarboxylic acid dimethyl ester (CAS 35287-71-9), compiled from public chemistry databases.
| CAS 号 | 35287-71-9 |
|---|---|
| PubChem CID | 182227 |
| 分子式 | C32H30O14 |
| IUPAC 名称 | methyl (3S,4S,4aR)-7-[(5S,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate |
| UNII（FDA） | STF85NNG7A |
| Molecular Weight | 638.6 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 5 |
| Exact Mass | 638.16355563 |
| Monoisotopic Mass | 638.16355563 |
| Topological Polar Surface Area | 227 |
| Heavy Atom Count | 46 |
DTXSID10956726; RefChem:1083670; DTXCID601384683; Secalonic acid B; Acide secalonique B; 35287-71-9; STF85NNG7A; UNII-STF85NNG7A; ERGOCHROME BB(2,2'); CHEMBL1075999; SCHEMBL31578154; CHEBI:144223; Q27289390
(3S,3'S,4S,4'S,4aR,4'aR)-2,2',3,3',4,4',9,9'-八氢-1,1',4,4',8,8'-六羟基-3,3'-二甲基-9,9'-二氧代-7,7'-双(4aH-呫吨)-4a,4'a-二甲酸二甲酯 · CAS 35287-71-9 · C32H30O14. UNII STF85NNG7A.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.