(Q105023224)

English

(2S,3R,5R,9S,10R,13R,14S,17R)-2,3,14-trihydroxy-17-[(4R,5S)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

2,3,14-trihydroxy-17-[5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

1 reference

based on heuristic

inferred from SMILES

mass

520.340003876 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-1-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₇

0 references

canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C4(OC(OC4CCC(O)(C)C)(C)C)C)C5(C)CC(O)C(O)CC15

0 references

isomeric SMILES

CC(C)(O)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C

0 references

found in taxon

Vitex strickeri

1 reference

stated in

Isolation of ecdysteroids fromVitex strickeri using RLCC and recycling HPLC

Identifiers

InChI

InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19+,21-,22+,23-,24+,27-,28-,29-,30-/m1/s1

0 references

InChIKey

GXNNYSDWRVKVJY-XERZMCEFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GXNNYSDWRVKVJY-XERZMCEFSA-N

(Q105023224)

(2S,3R,5R,9S,10R,13R,14S,17R)-2,3,14-trihydroxy-17-[(4R,5S)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)