(Q105168128)

English

(3S,4S,5R,8S,9R,10S,13R,14R,17R)-4-(3-hydroxypropyl)-5,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

6-(3-hydroxypropyl)-1-isopropyl-3b,5a,9b,11a-tetramethyl-7-(prop-1-en-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-ol

1 reference

based on heuristic

inferred from SMILES

mass

444.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4S,5R,8S,9R,10S,13R,14R,17R)-4-(3-hydroxypropyl)-5,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4S,5S,8S,9R,10S,13R,14R,17R)-4-(3-hydroxypropyl)-5,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from InChIKey

(3R,4S,5S,8S,9R,10S,13R,14R,17R)-4-(3-hydroxypropyl)-5,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₂

0 references

canonical SMILES

OCCCC1C(O)(C(=C)C)CCC2C1(C)CCC3(C)C4CCC(C(C)C)C4(C)CCC23C

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isomeric SMILES

C=C(C)[C@]1(O)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@H]1CCCO

0 references

found in taxon

Euphorbia maculata

1 reference

stated in

Four novel 3,4-seco-triterpenoids, espinendiols A and B, espinenoxide and trisnor-isoespinenoxide from euphorbia supina

Euphorbia supina

1 reference

stated in

Four novel 3,4-seco-triterpenoids, espinendiols A and B, espinenoxide and trisnor-isoespinenoxide from euphorbia supina

Identifiers

InChI

InChI=1S/C30H52O2/c1-20(2)22-11-12-23-26(22,5)15-17-29(8)24-13-14-30(32,21(3)4)25(10-9-19-31)27(24,6)16-18-28(23,29)7/h20,22-25,31-32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26-,27-,28+,29-,30-/m1/s1

0 references

InChIKey

MMVRRFYBKHIWCR-VJEQMZRBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMVRRFYBKHIWCR-VJEQMZRBSA-N

1 reference

(Q105168128)

(3S,4S,5R,8S,9R,10S,13R,14R,17R)-4-(3-hydroxypropyl)-5,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

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