Epi-Friedelinol

HCID 101341

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Basic information

CAS: 5085-72-3
Standard SMILES: C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
InChIKey: XCDQFROEGGNAER-VYFOYESCSA-N
Molecular formula: C30H52O
Average molar mass: 428.7 g/mol
Monoisotopic mass: 428.40181628

Overview

(3R,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyl-hexadecahydropicen-3-ol has been reported in Hypericum ascyron, Swertia corymbosa, and other organisms with data available.

Names & identifiers

Preferred name: Epi-Friedelinol
IUPAC: (3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
English name: FRIEDELAN-3ALPHA-OL
Molecular formula: C30H52O
Molecular weight: 428.73

Names & synonyms

epi-Friedelinol(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-olRefChem:921012FriedelanolFriedelan-3-olFriedelan-3alpha-olD:A-Friedooleanan-3alpha-olFridelinolNSC 407041CHEMBL229563SCHEMBL29936441D:A-Friedooleanan-3-ol, (3alpha)-

Show more names

friedelinolFriedelalFriedelan-3.α.-olEpifriedelanol ,98%3α-HydroxyfriedelaneD:A-Friedooleanan-3α-ol24,25,26-Trinoroleanan-3-ol, 5,9,13-trimethyl-, (3α,4β,5β,8α,9β,10α,13α,14β)-

AKOS040744456FS-9938CS-0024437D:A-Friedooleanan-3-ol, (3)-; D:A-Friedooleanan-3-ol

Database identifiers

CAS: 5085-72-3
PubChem CID: 101341
ChEMBL: CHEMBL229563、CHEMBL2298068
Nikkaji: J12.755H

Properties

Computed structural properties

XLogP: 10.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 31
Formal charge: 0
Complexity: 741

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 301 · 301-304 °C
Boiling point: 478.3 · 478.3±13.0 °C(Predicted)
Density: 0.966 · 0.966±0.06 g/cm3(Predicted)
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Cryst.
pka: 15.18 · 15.18±0.70(Predicted)

Chemistry & industry

Applications

UsesFriedelinol is a Triterpenoids product that can be isolated from the herbs of Celastrus stylosus Wall.[1].

Suppliers34 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]

云南西力生物技术股份有限公司0871-65217109 · [email protected]

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Compound notes

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