(Q105005887)

English

(5S,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

(23S,24R)-24,25-Epoxy-11b,23-dihydroxy-8a,9b,14b-dammar-13(17)-en-3-one

1 reference

based on heuristic

inferred from SMILES

(9S,10S,14R)-17-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

(8S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

1-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,8S,9R,10S,11S,14S)-17-[(2S,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₄

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2C(O)CC4=C(CCC43C)C(C)CC(O)C5OC5(C)C)C1(C)C

0 references

isomeric SMILES

C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1

0 references

found in taxon

Alisma plantago-aquatica

2 references

stated in

Terpenoids of Alisma orientale rhizome and the crude drug alismatis rhizoma

stated in

Crude Drugs from Aquatic Plants. II. On the Constituents of the Rhizome of Alisma orientale JUZEP. Originating from Japan, Taiwan, and China. Absolute Stereostructures of 11-Deoxyalisols B and B 23-Acetate.

Identifiers

InChI

InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22-,24+,25-,28+,29+,30+/m1/s1

0 references

InChIKey

GBJKHDVRXAVITG-XCCZAVEJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GBJKHDVRXAVITG-XCCZAVEJSA-N

1 reference

(Q105005887)

(5S,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-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)