(Q104954980)

English

(2R,4aR,6aR,6aS,6bR,8aS,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

10,11-Dihydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

504.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2alpha,3alpha,23,29-Tetrahydroxyoleana-12-ene-28-oic acid

1 reference

1 reference

1 reference

C₃₀H₄₈O₆

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canonical SMILES

O=C(O)C12CCC(C)(CO)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC1

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isomeric SMILES

C[C@@]12CC[C@@]3(C(=O)O)CC[C@@](C)(CO)C[C@H]3C1=CC[C@@H]1[C@@]3(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@H]3CC[C@]12C

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found in taxon

Schnabelia tetradonta

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stated in

Chemical constituents of the aerial parts of Schnabelia tetradonta

Identifiers

InChI

InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-/m0/s1

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InChIKey

CDPOJDDWXIJFPO-YSCLWKBSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CDPOJDDWXIJFPO-YSCLWKBSSA-N

(Q104954980)

(2R,4aR,6aR,6aS,6bR,8aS,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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