JERVINE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H39NO3.ClH
Molecular Weight	462.064
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]3(CC[C@]4([H])C(C(=O)[C@@]5([H])[C@@]4([H])CC=C6C[C@@H](O)CC[C@]56C)=C3C)O2

InChI

InChIKey=BTHSHLDGBOARGK-AVEQMEPMSA-N

InChI=1S/C27H39NO3.ClH/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2;/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3;1H/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C27H39NO3
Molecular Weight	425.6035
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:48:39 UTC 2023` Edited by `admin` on `Sat Dec 16 10:48:39 UTC 2023`
Record UNII	48M61HU79W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JERVINE HYDROCHLORIDE

Common Name

English

SPIRO(9H-BENZO(A)FLUORENE-9,2'(3'H)-FURO(3,2-B)PYRIDIN)-11(1H)-ONE, 2,3,3'A,4,4',5',6,6',6A,6B,7,7',7'A,8,11A,11B-HEXADECAHYDRO-3-HYDROXY-3',6',10,11B-TETRAMETHYL-, HYDROCHLORIDE (1:1), (2'R,3S,3'R,3'AS,6'S,6AS,6BS,7'AR,11AS,11BR)-

Systematic Name

English

JERVINE HYDROCHLORIDE [MI]

Common Name

English

(2'R,3S,3'R,3'AS,6'S,6AS,6BS,7'AR,11AS,11BR)-2,3,3'A,4,4',5',6,6',6A,6B,7,7',7'A,8,11A,11B-HEXADECAHYDRO-3-HYDROXY-3',6',10,11B-TETRAMETHYLSPIRO(9H-BENZO(A)FLUORENE-9,2'(3'H)-FURO(3,2-B)PYRIDIN)-11(1H)-ONE, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

903508-18-9