(3R,5aS,6S,9aR,10aS)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulene-3,6,9a-triol
Basic information
- CAS
80243-68-1- Standard SMILES
C=C1CC[C@H](O)[C@]2(C)CC=C3[C@@](C)(CC[C@@]3(O)C(C)C)C[C@@]12O- InChIKey
BHLWYXNPQWHDHX-WKWVNEEDSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Overview
NSC341591 has been reported in Dictyota divaricata and Dictyota dichotoma var. intricata with data available.
Names & identifiers
- Preferred name
- (3R,5aS,6S,9aR,10aS)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulene-3,6,9a-triol
- IUPAC
- (3R,5aS,6S,9aR,10aS)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulene-3,6,9a-triol
Names & synonyms
NSC34159180243-68-1DTXSID10319190NSC-341591DOLASTA-1 (15), 4,9,14-TRIHYDROXY B704730(1R,3aS,4aR,8S,8aS)-3a,8a-Dimethyl-5-methylidene-1-(propan-2-yl)-2,3,3a,4,5,6,7,8,8a,9-decahydrobenzo[f]azulene-1,4a,8(1H)-triol
Database identifiers
- CAS
80243-68-1- PubChem CID
- 334777
- DTXSID
DTXSID10319190
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 565
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Related reactions
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Compound notes
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