DIHYDROTOMATIDINE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H47NO2
Molecular Weight	417.6676
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O)[C@]([H])([C@H](C)[C@@]3([H])CC[C@H](C)CN3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC[C@@]5([H])C[C@@H](O)CC[C@]45C

InChI

InChIKey=PNCADIYJKRZFGU-HRRTYWNUSA-N

InChI=1S/C27H47NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,28-30H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H47NO2
Molecular Weight	417.6676
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:56:03 GMT 2023` Edited by `admin` on `Sat Dec 16 12:56:03 GMT 2023`
Record UNII	ZAW6BNA980
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIHYDROTOMATIDINE B

Common Name

English

TOMATIDINE B, DIHYDRO-

Common Name

English

5.ALPHA.-PREGNANE-3.BETA.,16.BETA.-DIOL, 20.ALPHA.-((2R,5S)-5-METHYL-2-PIPERIDYL)-

Common Name

English

16,28-SECOSOLANIDANE-3,16-DIOL, (3.BETA.,5.ALPHA.,16.BETA.)-

Systematic Name

English

NSC-1297

Code

English

NSC-29716

Code

English

NSC-9716

Code

English

PREGNANE-3,16-DIOL, 20-((2R,5S)-5-METHYL-2-PIPERIDINYL)-, (3.BETA.,5.ALPHA.,16.BETA.,20S)-

Systematic Name

English

NSC-26077

Code

English

NSC-71297

Code

English

Code System Code Type Description

NSC

1297