(Q76414776)

English

(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

spirostans

0 references

mass

428.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1'R,2S,2'R,4'R,7'R,8'S,9'R,12'R,13'S,14'S,16'R)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-14',16'-diol

1 reference

based on heuristic

inferred from InChI

(1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'R,14'R,16'S)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-14',16'-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₄

0 references

canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3CC5OC6(OCC(=C)CC6)C(C)C54)C2(C)C(O)C1

0 references

isomeric SMILES

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O)O)C)C)O[C@]16CCC(=C)CO6

0 references

found in taxon

Helleborus orientalis

1 reference

stated in

Steroidal sapogenins from subterranean organs of Helleborus caucasicus

Identifiers

InChI

InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1

0 references

InChIKey

ALTRINCJVPIQNK-NHIXJPGBSA-N

0 references

CAS Registry Number

17676-33-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

9910474

1 reference

matched by identifier from

InChIKey

ALTRINCJVPIQNK-NHIXJPGBSA-N

ChEBI ID

228892

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

ALTRINCJVPIQNK-NHIXJPGBSA-N

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

(Q76414776)

(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol

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)