(Q104914242)

English

(1S,3aR,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-3a,5a,5b,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-(hydroxymethyl)-1-isopropyl-3a,5a,5b,8,11a-pentamethyl-hexadecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

444.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₂

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canonical SMILES

OCC1(C)C(O)CCC2(C)C1CCC3(C)C2CCC4C5C(CCC5(C)CCC43C)C(C)C

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isomeric SMILES

CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12

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found in taxon

Glochidion eriocarpum

1 reference

stated in

New triterpenoid saponins from Glochidion eriocarpum and their cytotoxic activity.

Phyllanthus eriocarpus

1 reference

stated in

New triterpenoid saponins from Glochidion eriocarpum and their cytotoxic activity.

Identifiers

InChI

InChI=1S/C30H52O2/c1-19(2)20-10-13-26(3)16-17-29(6)21(25(20)26)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h19-25,31-32H,8-18H2,1-7H3/t20-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+/m0/s1

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InChIKey

ALNSIZVEYJINHW-VKUYLFACSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ALNSIZVEYJINHW-VKUYLFACSA-N

(Q104914242)

(1S,3aR,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-3a,5a,5b,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

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Identifiers

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